trans-(1S,2R)-2-(6-chloro-1H-indazol-4-yl)cyclohexan-1-ol

C13H15ClN2O — CID 121326722

IUPACtrans-(1S,2R)-2-(6-chloro-1H-indazol-4-yl)cyclohexan-1-ol
SMILESO[C@H]1CCCC[C@@H]1c1cc(Cl)cc2[nH]ncc12
InChIInChI=1S/C13H15ClN2O/c14-8-5-10(9-3-1-2-4-13(9)17)11-7-15-16-12(11)6-8/h5-7,9,13,17H,1-4H2,(H,15,16)/t9-,13+/m1/s1
InChIKeyGSUFFWACLLFRAY-RNCFNFMXSA-N
MW250.73 g/mol
LogP3.23
Rot. Bonds1

About trans-(1S,2R)-2-(6-chloro-1H-indazol-4-yl)cyclohexan-1-ol

trans-(1S,2R)-2-(6-chloro-1H-indazol-4-yl)cyclohexan-1-ol (PubChem CID 121326722) has the molecular formula C13H15ClN2O and a molecular weight of 250.73 g/mol. Its IUPAC name is trans-(1S,2R)-2-(6-chloro-1H-indazol-4-yl)cyclohexan-1-ol.

Molecular Properties

Compound Nametrans-(1S,2R)-2-(6-chloro-1H-indazol-4-yl)cyclohexan-1-ol
PubChem CID121326722
Molecular FormulaC13H15ClN2O
Molecular Weight250.73 g/mol
Exact Mass250.09
IUPAC Nametrans-(1S,2R)-2-(6-chloro-1H-indazol-4-yl)cyclohexan-1-ol
SMILESO[C@H]1CCCC[C@@H]1c1cc(Cl)cc2[nH]ncc12
InChIInChI=1S/C13H15ClN2O/c14-8-5-10(9-3-1-2-4-13(9)17)11-7-15-16-12(11)6-8/h5-7,9,13,17H,1-4H2,(H,15,16)/t9-,13+/m1/s1
InChIKeyGSUFFWACLLFRAY-RNCFNFMXSA-N
XLogP3.23
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.73
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of trans-(1S,2R)-2-(6-chloro-1H-indazol-4-yl)cyclohexan-1-ol?
The IUPAC name of trans-(1S,2R)-2-(6-chloro-1H-indazol-4-yl)cyclohexan-1-ol (CID 121326722) is trans-(1S,2R)-2-(6-chloro-1H-indazol-4-yl)cyclohexan-1-ol.
What is the SMILES notation for trans-(1S,2R)-2-(6-chloro-1H-indazol-4-yl)cyclohexan-1-ol?
The canonical SMILES for trans-(1S,2R)-2-(6-chloro-1H-indazol-4-yl)cyclohexan-1-ol is O[C@H]1CCCC[C@@H]1c1cc(Cl)cc2[nH]ncc12.
What is the InChIKey of trans-(1S,2R)-2-(6-chloro-1H-indazol-4-yl)cyclohexan-1-ol?
The InChIKey is GSUFFWACLLFRAY-RNCFNFMXSA-N. The full InChI is InChI=1S/C13H15ClN2O/c14-8-5-10(9-3-1-2-4-13(9)17)11-7-15-16-12(11)6-8/h5-7,9,13,17H,1-4H2,(H,15,16)/t9-,13+/m1/s1.
What are the key properties of trans-(1S,2R)-2-(6-chloro-1H-indazol-4-yl)cyclohexan-1-ol?
trans-(1S,2R)-2-(6-chloro-1H-indazol-4-yl)cyclohexan-1-ol has a molecular weight of 250.73 g/mol, XLogP of 3.23, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2R)-2-(6-chloro-1H-indazol-4-yl)cyclohexan-1-ol is sourced from PubChem (CID 121326722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).